palmitoleoyl-CoA(4-) (CHEBI:61540)

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CHEBI:61540 - palmitoleoyl-CoA(4−)

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ChEBI ID	CHEBI:61540
ChEBI Name	palmitoleoyl-CoA(4−)
Stars
ASCII Name	palmitoleoyl-CoA(4-)
Definition	A hexadecenoyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of palmitoleyl-CoA.
Last Modified	5 February 2018
Submitter	Eugeni Belda
Downloads	Molfile

Formula	C37H60N7O17P3S
Net Charge	-4
Average Mass	999.908
Monoisotopic Mass	999.30012
SMILES	CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChI	InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b10-9-/t26-,30-,31-,32+,36-/m1/s1
InChIKey	QBYOCCWNZAOZTL-MDMKAECGSA-J

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932)	-	PubMed (24678285)	Source: yeast.sf.net

Roles Classification

Biological Roles:

Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	palmitoleoyl-CoA(4−) (CHEBI:61540) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
	palmitoleoyl-CoA(4−) (CHEBI:61540) has role human metabolite (CHEBI:77746)
	palmitoleoyl-CoA(4−) (CHEBI:61540) is a hexadecenoyl-CoA(4−) (CHEBI:139572)
	palmitoleoyl-CoA(4−) (CHEBI:61540) is conjugate base of palmitoleoyl-CoA (CHEBI:53152)
Incoming Relation(s)
	S-(9Z-hexadecenoyl)-4'-phosphopantetheine(2−) (CHEBI:172388) has functional parent palmitoleoyl-CoA(4−) (CHEBI:61540)
	palmitoleoyl-CoA (CHEBI:53152) is conjugate acid of palmitoleoyl-CoA(4−) (CHEBI:61540)

Synonyms	Source
cis-9-hexadecenoyl-CoA(4−)	SUBMITTER
(Z)-hexadec-9-enoyl-CoA(4−)	SUBMITTER
9Z-hexadecenoyl-CoA(4−)	SUBMITTER
16:1-delta9-CoA(4−)	SUBMITTER
(Z)-hexadec-9-enoyl-CoA tetraanion	ChEBI
(Z)-hexadec-9-enoyl-coenzyme A tetraanion	ChEBI

UniProt Name	Source
(9Z)-hexadecenoyl-CoA	UniProt

Manual Xrefs	Databases
CPD-10269	MetaCyc